calcium;hydride;3-methylbutan-1-ol

C5H14CaO — CID 174734037

IUPACcalcium;hydride;3-methylbutan-1-ol
SMILESCC(C)CCO.[Ca+2].[H-].[H-]
InChIInChI=1S/C5H12O.Ca.2H/c1-5(2)3-4-6;;;/h5-6H,3-4H2,1-2H3;;;/q;+2;2*-1
InChIKeyHTHXJJKXKANREM-UHFFFAOYSA-N
MW130.24 g/mol
LogP0.87
Rot. Bonds2

About calcium;hydride;3-methylbutan-1-ol

calcium;hydride;3-methylbutan-1-ol (PubChem CID 174734037) has the molecular formula C5H14CaO and a molecular weight of 130.24 g/mol. Its IUPAC name is calcium;hydride;3-methylbutan-1-ol.

Molecular Properties

Compound Namecalcium;hydride;3-methylbutan-1-ol
PubChem CID174734037
Molecular FormulaC5H14CaO
Molecular Weight130.24 g/mol
Exact Mass130.07
IUPAC Namecalcium;hydride;3-methylbutan-1-ol
SMILESCC(C)CCO.[Ca+2].[H-].[H-]
InChIInChI=1S/C5H12O.Ca.2H/c1-5(2)3-4-6;;;/h5-6H,3-4H2,1-2H3;;;/q;+2;2*-1
InChIKeyHTHXJJKXKANREM-UHFFFAOYSA-N
XLogP0.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.24
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

sodium;hydride;3-methylbutan-1-ol
CID 173128134
chloroform;3-methylbutan-1-ol
CID 173101838
ethane;3-methylbutan-1-ol;propane
CID 163391548
bis(3-methylbutan-1-ol);sulfuric acid
CID 71441144
acetonitrile;3-methylbutan-1-ol;hydrate
CID 87881666
chloro hypochlorite;bis(3-methylbutan-1-ol);vanadium
CID 88737111
acetonitrile;3-methylbutan-1-ol
CID 161349190
formyl chloride;3-methylbutan-1-ol
CID 88598720
3-methylbutan-1-ol;9-methyldecan-1-ol;11-methyldodecan-1-ol;6-methylheptan-1-ol;5-methylhexan-1-ol;8-methylnonan-1-ol;7-methyloctan-1-ol;4-methylpentan-1-ol;12-methyltridecan-1-ol;10-methylundecan-1-ol
CID 161175838
2-methylbutan-2-ol;3-methylbutan-1-ol
CID 159050772
azane;ethanol;hexane;3-methylbutan-1-ol;hydrate
CID 174918967
2-butan-2-yloxybutane;3-methylbutan-1-ol
CID 175296093

Frequently Asked Questions

What is the IUPAC name of calcium;hydride;3-methylbutan-1-ol?
The IUPAC name of calcium;hydride;3-methylbutan-1-ol (CID 174734037) is calcium;hydride;3-methylbutan-1-ol.
What is the SMILES notation for calcium;hydride;3-methylbutan-1-ol?
The canonical SMILES for calcium;hydride;3-methylbutan-1-ol is CC(C)CCO.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;hydride;3-methylbutan-1-ol?
The InChIKey is HTHXJJKXKANREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O.Ca.2H/c1-5(2)3-4-6;;;/h5-6H,3-4H2,1-2H3;;;/q;+2;2*-1.
What are the key properties of calcium;hydride;3-methylbutan-1-ol?
calcium;hydride;3-methylbutan-1-ol has a molecular weight of 130.24 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;3-methylbutan-1-ol is sourced from PubChem (CID 174734037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).